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A python utility to convert between XYZ and Z-matrix geometries.
Investment Research for Everyone, Everywhere.
朱雀仿宋/朱雀宋朝/Zhuque Fangsong: An open-source Fangsong typeface project
Iconic font aggregator, collection, & patcher. 3,600+ icons, 50+ patched fonts: Hack, Source Code Pro, more. Glyph collections: Font Awesome, Material Design Icons, Octicons, & more
Input files for the protein-ligand benchmark performed with the Alchemical Transfer Method (ATM)
Converts an xyz file to an RDKit mol object
一个用于在 macOS 上平滑你的鼠标滚动效果或单独设置滚动方向的小工具, 让你的滚轮爽如触控板 | A lightweight tool used to smooth scrolling and set scroll direction independently for your mouse on macOS
An open-source Chinese font derived from Fontworks' Klee One. 一款开源中文字体，基于 FONTWORKS 出品字体 Klee One 衍生。
remaking OpenMM forces with Custom*Forces
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on…
Cloud-based molecular simulations for everyone
add-on to plotly which show molecule images on mouseover!
域名SSL证书监测平台、SSL证书申请自动续签。Domain and SSL Cert monitor System.
RDKit related blog posts, notebooks, and data.
A curated list of awesome Jupyter projects, libraries and resources
A curated list of awesome JupyterLab extensions and resources
A terminal workspace with batteries included
kapitainsky / RcloneBrowser
Forked from DinCahill/RcloneBrowserSimple cross platform GUI for rclone. Supports macOS, GNU/Linux, BSD family and Windows.
G-SchNet extension for SchNetPack
📈 Application for statistical analysis and data visualization which can generate different types of publication quality 2D and 3D plots with extensive visual customization.
Robust Molecular Structure Recognition with Image-to-Graph Generation
Tools to automatically convert and proccess cdx and cdxml files in python
Listing of papers about machine learning for proteins.